Table 1. Formal Electrode Potentials (Peak Position Ep for Irreversible and E1/2 for Quasi-Reversible Processes (*), V, vs FeCp2), Onset Potentials (E, V, vs FeCp2), Peak-to-Peak Separation in Parentheses for Quasi-Reversible Processes (ΔEp in mV), EHOMO/ELUMO (eV) and Band Gap Values (ΔE, eV) for the Redox Changes Exhibited by Copper and Gold Complexesa.
| reduction |
oxidation |
|||||||
|---|---|---|---|---|---|---|---|---|
| complex | Efirst | Eonset red | ELUMO (eV) | Efirst | Eonset ox | Esecond | EHOMO (eV) | ΔE (eV) |
| CMA1 | –2.80* (166) | –2.71 | –2.68 | +0.25 | +0.14 | – | –5.53 | 2.85 |
| 1 (Au) | –2.79* (171) | –2.68 | –2.71 | +0.55 | +0.42 | – | –5.81 | 3.10 |
| 2 (Cu) | –2.99* (165) | –2.89 | –2.50 | +0.40 | +0.23 | – | –5.62 | 3.12 |
| 3 | –2.74* (173) | –2.65 | –2.74 | +0.09 | –0.04 | – | –5.35 | 2.61 |
| 4 | –2.66* (162) | –2.58 | –2.81 | +0.22 | +0.09 | +0.63 | –5.48 | 2.67 |
a
In THF solution, recorded using a glassy carbon electrode, concentration 1.4 mM, supporting electrolyte [nBu4N][PF6] (0.13 M), measured at 0.1 V s–1. EHOMO= −(Eonset ox Fc/Fc++ 5.39) eV; ELUMO= −(Eonset red Fc/Fc++ 5.39) eV.